CID 12134107

But-3-ene-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H7ClO2S
SMILES
C=CCCS(=O)(=O)Cl
InChI
InChI=1S/C4H7ClO2S/c1-2-3-4-8(5,6)7/h2H,1,3-4H2
InChIKey
FMLFRGLMOUTPLQ-UHFFFAOYSA-N
Compound name
but-3-ene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

153.98553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.99281 125.5
[M+Na]+ 176.97475 135.3
[M-H]- 152.97825 126.7
[M+NH4]+ 172.01935 148.1
[M+K]+ 192.94869 132.0
[M+H-H2O]+ 136.98279 122.7
[M+HCOO]- 198.98373 139.5
[M+CH3COO]- 212.99938 170.5
[M+Na-2H]- 174.96020 130.2
[M]+ 153.98498 130.0
[M]- 153.98608 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe